SCHEMBL6317802

SCHEMBL6317802

N#CSC(=O)CN1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 6/20 0.36
ALOX12 P18054 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GAA P10253 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GFER P55789 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21049710 0.81 RAB9A (0.37) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL8859577 0.72 RAB9A (0.36) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL43959 0.71 TSHR (0.39) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL4381249 0.69 TSHR (0.38) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL121100 0.69 TSHR (0.40) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
Hydrochloric Acid SCHEMBL17595174 0.69 TSHR (0.38) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL5088057 0.68 TSHR (0.37) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
Hydroxyamine SCHEMBL3213770 0.68 TSHR (0.37) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL236431 0.68 TSHR (0.56) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL10015377 0.67 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050112786-A1 Method of immobilizing a substance of interest to a solid phase ROGOSIN INSTITUTE, THE 2005-05-26 US claimed